2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(2-ethanoyl-4,5-dimethoxy-phenyl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-3-[(2-ethanoyl-4,5-dimethoxy-phenyl)amino]prop-2-enenitrile Openeye Name: 3-(2-acetyl-4,5-dimethoxy-anilino)-2-[4-(3-bromophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-(2-acetyl-4,5-dimethoxyanilino)-2-[4-(3-bromophenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-(2-acetyl-4,5-dimethoxyanilino)-2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-(2-acetyl-4,5-dimethoxy-anilino)-2-[4-(3-bromophenyl)thiazol-2-yl]acrylonitrile Formula: C22H18BrN3O3S MolecularWeight: 484.36562

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)Br)OC)OC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1NC=C(C#N)C2=NC(=CS2)C3=CC(=CC=C3)Br)OC)OC

InChI

InChI=1S/C22H18BrN3O3S/c1-13(27)17-8-20(28-2)21(29-3)9-18(17)25-11-15(10-24)22-26-19(12-30-22)14-5-4-6-16(23)7-14/h4-9,11-12,25H,1-3H3